2-(4-chloro-2-methylphenoxy)-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide

C20H23ClN2O3 — CID 979210

IUPAC2-(4-chloro-2-methylphenoxy)-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
SMILESCc1cc(Cl)ccc1OCC(=O)Nc1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C20H23ClN2O3/c1-15-12-17(21)4-7-19(15)26-14-20(24)22-18-5-2-16(3-6-18)13-23-8-10-25-11-9-23/h2-7,12H,8-11,13-14H2,1H3,(H,22,24)
InChIKeyBNUDXLUEDAKRBE-UHFFFAOYSA-N
MW374.87 g/mol
LogP3.50
Rot. Bonds6

About 2-(4-chloro-2-methylphenoxy)-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide

2-(4-chloro-2-methylphenoxy)-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide (PubChem CID 979210) has the molecular formula C20H23ClN2O3 and a molecular weight of 374.87 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenoxy)-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-2-methylphenoxy)-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
PubChem CID979210
Molecular FormulaC20H23ClN2O3
Molecular Weight374.87 g/mol
Exact Mass374.14
IUPAC Name2-(4-chloro-2-methylphenoxy)-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
SMILESCc1cc(Cl)ccc1OCC(=O)Nc1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C20H23ClN2O3/c1-15-12-17(21)4-7-19(15)26-14-20(24)22-18-5-2-16(3-6-18)13-23-8-10-25-11-9-23/h2-7,12H,8-11,13-14H2,1H3,(H,22,24)
InChIKeyBNUDXLUEDAKRBE-UHFFFAOYSA-N
XLogP3.50
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide?
The IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide (CID 979210) is 2-(4-chloro-2-methylphenoxy)-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-chloro-2-methylphenoxy)-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide?
The canonical SMILES for 2-(4-chloro-2-methylphenoxy)-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide is Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(CN2CCOCC2)cc1.
What is the InChIKey of 2-(4-chloro-2-methylphenoxy)-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide?
The InChIKey is BNUDXLUEDAKRBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O3/c1-15-12-17(21)4-7-19(15)26-14-20(24)22-18-5-2-16(3-6-18)13-23-8-10-25-11-9-23/h2-7,12H,8-11,13-14H2,1H3,(H,22,24).
What are the key properties of 2-(4-chloro-2-methylphenoxy)-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide?
2-(4-chloro-2-methylphenoxy)-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide has a molecular weight of 374.87 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylphenoxy)-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide is sourced from PubChem (CID 979210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).